Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Thiopheneaceticacid, α-oxo- |
EINECS | N/A |
CAS No. | 39684-36-1 | Density | 1.486 g/cm3 |
PSA | 82.61000 | LogP | 1.01540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4O3S | Boiling Point | 274.2 °C at 760 mmHg |
Molecular Weight | 156.16 | Flash Point | 119.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Thienylglyoxylicacid; |
Article Data | 8 |
The 3-Thiopheneaceticacid, α-oxo- is an organic compound with the formula C6H4O3S. The systematic name of this chemical is oxo(thiophen-3-yl)acetic acid. With the CAS registry number 39684-36-1, it is also named as α-Oxo-3-thiopheneacetic acid.
Physical properties about 3-Thiopheneaceticacid, α-oxo- are: (1)ACD/LogP: 0.37; (2)ACD/LogD (pH 5.5): -2.88; (3)ACD/LogD (pH 7.4): -3.37; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 71.61 Å2; (12)Index of Refraction: 1.605; (13)Molar Refractivity: 36.22 cm3; (14)Molar Volume: 105 cm3; (15)Polarizability: 14.36×10-24cm3; (16)Surface Tension: 64.1 dyne/cm; (17)Density: 1.486 g/cm3; (18)Flash Point: 119.7 °C; (19)Enthalpy of Vaporization: 54.15 kJ/mol; (20)Boiling Point: 274.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00265 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C(=O)c1ccsc1
(2)InChI: InChI=1/C6H4O3S/c7-5(6(8)9)4-1-2-10-3-4/h1-3H,(H,8,9)
(3)InChIKey: SHOLYXBVJFTGSH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C6H4O3S/c7-5(6(8)9)4-1-2-10-3-4/h1-3H,(H,8,9)
(5)Std. InChIKey: SHOLYXBVJFTGSH-UHFFFAOYSA-N